REMARK  Name = BDB065162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.083   1.028   0.906  0.00  0.00    +0.153 C 
ATOM      2  C   LIG    1        0.754  -0.366   1.361  0.00  0.00    +0.118 C 
ATOM      3  C   LIG    1       -0.627  -0.520   0.679  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1       -0.777  -1.570  -0.402  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -1.661  -2.559   0.032  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.994  -3.652  -0.741  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.414  -3.732  -2.008  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -0.543  -2.733  -2.476  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1       -1.786  -5.072  -3.023  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -2.150  -2.249   1.291  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1       -2.844  -2.776   1.802  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -0.226  -1.634  -1.672  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.644  -1.036   1.750  0.00  0.00    +0.248 C 
ATOM     14  O   LIG    1       -1.958  -0.509   2.806  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -0.905   0.829   0.161  0.00  0.00    -0.232 N 
ATOM     16  N   LIG    1        0.149   1.690   0.288  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1        1.784  -1.449   1.122  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.672  -1.435   0.039  0.00  0.00    +0.145 A 
ATOM     19  F   LIG    1        2.628  -0.416  -0.833  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1        3.593  -2.465  -0.156  0.00  0.00    +0.076 A 
ATOM     21 CL   LIG    1        4.676  -2.426  -1.494  0.00  0.00    -0.081 Cl
ATOM     22  C   LIG    1        3.639  -3.537   0.731  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        2.760  -3.574   1.813  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        1.839  -2.541   2.006  0.00  0.00    +0.007 A 
ENDBRANCH   2  17
BRANCH  15  25
ATOM     25  C   LIG    1       -2.222   1.299  -0.264  0.00  0.00    +0.094 C 
ATOM     26  C   LIG    1       -2.890   2.169   0.815  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -3.887   3.184   0.249  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -4.554   2.675  -1.021  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -3.537   2.402  -2.130  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -2.147   2.032  -1.608  0.00  0.00    +0.024 C 
ENDBRANCH  15  25
BRANCH   1  31
ATOM     31  C   LIG    1        2.412   1.635   1.274  0.00  0.00    +0.356 C 
ATOM     32  O   LIG    1        2.929   1.420   2.356  0.00  0.00    -0.244 OA
BRANCH  31  33
ATOM     33  O   LIG    1        2.904   2.340   0.240  0.00  0.00    -0.461 OA
BRANCH  33  35
ATOM     34  C   LIG    1        5.270   1.883   0.059  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        4.208   2.900   0.434  0.00  0.00    +0.229 C 
ENDBRANCH  33  35
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 5